Electron momentum spectroscopy investigation on electronic structure of iso-dichloroethylene valence shell

Here an electron momentum spectroscopy study on the electronic structure of valence shell of iso-dichloroethylene molecule is reported. The experiment is carried out with a binary (e, 2e) spectrometer at incident electron energy of 1200 eV, employing noncoplanar symmetric arrangement. The binding en...

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Bibliographic Details
Published in:Chinese journal of chemical physics 2019-08, Vol.32 (4), p.423-430
Main Authors: Wang, Yi-chun, Niu, Shan-shan, Tang, Ya-guo, Zhang, Yu, Shan, Xu, Xu, Chun-kai, Chen, Xiang-jun
Format: Article
Language:English
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Summary:Here an electron momentum spectroscopy study on the electronic structure of valence shell of iso-dichloroethylene molecule is reported. The experiment is carried out with a binary (e, 2e) spectrometer at incident electron energy of 1200 eV, employing noncoplanar symmetric arrangement. The binding energy spectra and electron momentum distributions (EMDs) of iso-dichloroethylene valence shell have been obtained. Theoretical EMDs are predicted with both Hartree-Fock and density functional theory methods, generally indicating good agreements with the measurement results. The interference effect is observed to significantly influence the EMDs of 2a2 and 5b2 Cl lone-pair orbitals.
ISSN:1674-0068
2327-2244
DOI:10.1063/1674-0068/cjcp1903059